This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methanesulfonyl Fluoride
- DrugBank Accession Number
- DB13058
- Background
Methanesulfonyl Fluoride has been used in trials studying the treatment of Safety.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Methanesulfonyl Fluoride (DB13058)
- Weight
- Average: 98.09
Monoisotopic: 97.983778674 - Chemical Formula
- CH3FO2S
- Synonyms
- Not Available
- External IDs
- SNX-001
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol Methanesulfonyl Fluoride may increase the bradycardic activities of Acebutolol. Acetylcholine The risk or severity of adverse effects can be increased when Methanesulfonyl Fluoride is combined with Acetylcholine. Aclidinium Methanesulfonyl Fluoride may increase the neuromuscular blocking activities of Aclidinium. Amantadine The therapeutic efficacy of Amantadine can be decreased when used in combination with Methanesulfonyl Fluoride. Amifampridine The risk or severity of adverse effects can be increased when Methanesulfonyl Fluoride is combined with Amifampridine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
- Kingdom
- Organic compounds
- Super Class
- Organohalogen compounds
- Class
- Sulfonyl halides
- Sub Class
- Sulfonyl fluorides
- Direct Parent
- Sulfonyl fluorides
- Alternative Parents
- Sulfonyls / Organosulfonic acids and derivatives / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organic sulfonic acid or derivatives / Organosulfonic acid or derivatives / Organosulfur compound / Sulfonyl / Sulfonyl fluoride
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9H250YYY0R
- CAS number
- 558-25-8
- InChI Key
- KNWQLFOXPQZGPX-UHFFFAOYSA-N
- InChI
- InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
- IUPAC Name
- methanesulfonyl fluoride
- SMILES
- CS(F)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11207
- PubChem Substance
- 347829186
- ChemSpider
- 10734
- ZINC
- ZINC000095735985
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 5.16 mg/mL ALOGPS logP 0.5 ALOGPS logP -0.48 Chemaxon logS -1.3 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 34.14 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 15.47 m3·mol-1 Chemaxon Polarizability 6.95 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-002b-9000000000-a62979f47b1f0a22ccda Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-28717214a9bedd567a62 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9000000000-712d4cad71cfab8d87d8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-924788d8cd171c091939 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-9000000000-6fd55466478d233dfddd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-9000000000-6aea95e283daed07cbce Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 123.585 predictedDeepCCS 1.0 (2019) [M+H]+ 126.38246 predictedDeepCCS 1.0 (2019) [M+Na]+ 134.53831 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:30 / Updated at June 12, 2020 16:53